Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6nk3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N HIS 250.A O no hydrogen 2.876 N/A VAL 5.A N ARG 252.A O no hydrogen 2.818 N/A SER 8.A N VAL 254.A O no hydrogen 3.058 N/A VAL 10.A N HIS 256.A O no hydrogen 2.693 N/A SER 11.A OG GLN 258.A OE1 no hydrogen 3.184 N/A LEU 12.A N GLN 258.A O no hydrogen 2.889 N/A ALA 14.A N THR 260.A O no hydrogen 2.956 N/A GLY 15.A N LEU 230.A O no hydrogen 2.643 N/A THR 16.A N ALA 13.A O no hydrogen 3.256 N/A THR 16.A OG1 ALA 13.A O no hydrogen 2.670 N/A GLN 17.A NE2 ASP 228.A OD1 no hydrogen 2.820 N/A ALA 18.A N ILE 227.A O no hydrogen 2.972 N/A LEU 20.A N LEU 225.A O no hydrogen 2.819 N/A CYS 22.A N SER 224.A OG no hydrogen 3.223 N/A SER 24.A N GLY 221.A O no hydrogen 2.800 N/A MET 27.A N SER 24.A O no hydrogen 3.230 N/A TRP 29.A N PHE 218.A O no hydrogen 2.829 N/A ARG 33.A NH1 ASP 36.A OD2 no hydrogen 3.481 N/A ARG 37.A NH1 ASP 163.A OD1 no hydrogen 3.540 N/A ARG 37.A NH2 ASP 163.A OD1 no hydrogen 3.439 N/A GLN 38.A N HIS 35.A O no hydrogen 3.303 N/A ARG 39.A N SER 61.A OG no hydrogen 2.848 N/A ARG 39.A NE TRP 161.A O no hydrogen 3.006 N/A ARG 39.A NH1 ARG 37.A O no hydrogen 2.796 N/A ARG 39.A NH1 ASP 163.A OD1 no hydrogen 3.134 N/A ARG 39.A NH2 TRP 161.A O no hydrogen 2.912 N/A ARG 39.A NH2 ASP 163.A OD1 no hydrogen 2.643 N/A VAL 40.A N HIS 108.A O no hydrogen 2.991 N/A VAL 41.A N MET 59.A O no hydrogen 3.006 N/A HIS 42.A N ASN 106.A O no hydrogen 2.945 N/A HIS 42.A ND1 ASP 44.A OD1 no hydrogen 2.962 N/A TRP 43.A N VAL 57.A O no hydrogen 2.894 N/A TRP 43.A NE1 PHE 88.A O no hydrogen 2.894 N/A ASP 44.A N THR 104.A O no hydrogen 2.932 N/A LEU 45.A N ARG 54.A O no hydrogen 2.835 N/A SER 46.A N VAL 102.A O no hydrogen 3.079 N/A ARG 54.A N LEU 45.A O no hydrogen 2.655 N/A LEU 56.A N TRP 43.A O no hydrogen 2.867 N/A ASP 58.A N ARG 66.A O no hydrogen 3.005 N/A MET 59.A N VAL 41.A O no hydrogen 2.918 N/A SER 61.A N ARG 39.A O no hydrogen 2.861 N/A SER 61.A OG ARG 37.A O no hydrogen 3.532 N/A SER 61.A OG GLN 38.A OE1 no hydrogen 2.832 N/A SER 61.A OG ARG 39.A O no hydrogen 3.360 N/A GLY 63.A N TYR 60.A O no hydrogen 2.947 N/A GLN 65.A NE2 LEU 78.A O no hydrogen 2.777 N/A ARG 66.A N ASP 58.A O no hydrogen 2.786 N/A TYR 68.A N LEU 56.A O no hydrogen 3.159 N/A TYR 68.A OH ASP 58.A OD2 no hydrogen 2.431 N/A ARG 71.A NH2 ASP 96.A OD2 no hydrogen 2.802 N/A ASP 72.A N GLU 69.A O no hydrogen 2.752 N/A ARG 73.A N PRO 70.A O no hydrogen 3.256 N/A ARG 75.A N ASP 72.A O no hydrogen 2.873 N/A ARG 75.A NH1 ASP 99.A OD1 no hydrogen 3.566 N/A ARG 75.A NH2 ALA 94.A O no hydrogen 3.537 N/A ARG 75.A NH2 ASP 99.A OD1 no hydrogen 2.936 N/A LEU 76.A N ASP 72.A O no hydrogen 2.894 N/A LEU 77.A N LEU 91.A O no hydrogen 2.872 N/A LEU 78.A N GLN 65.A OE1 no hydrogen 2.897 N/A ALA 82.A N SER 79.A O no hydrogen 3.014 N/A HIS 84.A N SER 81.A O no hydrogen 3.003 N/A GLY 86.A N ALA 82.A O no hydrogen 2.734 N/A ASN 87.A N ALA 82.A O no hydrogen 3.220 N/A PHE 88.A N CYS 154.A O no hydrogen 2.704 N/A SER 89.A N ASN 87.A OD1 no hydrogen 3.330 N/A SER 89.A OG ASN 87.A OD1 no hydrogen 2.818 N/A LEU 90.A N MET 152.A O no hydrogen 2.939 N/A LEU 91.A N LEU 77.A O no hydrogen 2.929 N/A ILE 92.A N ALA 150.A O no hydrogen 2.909 N/A ARG 93.A N ARG 75.A O no hydrogen 2.768 N/A VAL 95.A N ALA 148.A O no hydrogen 2.945 N/A ASP 96.A N ASP 99.A OD2 no hydrogen 3.214 N/A GLY 98.A N ASP 96.A OD1 no hydrogen 2.787 N/A ASP 99.A N ASP 96.A O no hydrogen 3.001 N/A GLU 100.A N ARG 97.A O no hydrogen 3.347 N/A GLY 101.A N LEU 122.A O no hydrogen 3.328 N/A VAL 102.A N SER 46.A O no hydrogen 3.010 N/A TYR 103.A N VAL 120.A O no hydrogen 2.544 N/A TYR 103.A OH ASP 99.A O no hydrogen 2.591 N/A THR 104.A N ASP 44.A O no hydrogen 2.932 N/A CYS 105.A N LEU 118.A O no hydrogen 2.871 N/A ASN 106.A N HIS 42.A O no hydrogen 2.850 N/A ASN 106.A ND2 HIS 42.A O no hydrogen 3.253 N/A ASN 106.A ND2 THR 104.A OG1 no hydrogen 3.240 N/A LEU 107.A N GLU 116.A O no hydrogen 2.723 N/A HIS 108.A N VAL 40.A O no hydrogen 2.945 N/A HIS 108.A ND1 ASP 115.A OD1 no hydrogen 2.638 N/A HIS 109.A N LEU 114.A O no hydrogen 2.947 N/A HIS 109.A NE2 TYR 246.A OH no hydrogen 2.721 N/A HIS 110.A N GLN 38.A O no hydrogen 3.065 N/A TYR 111.A N HIS 109.A ND1 no hydrogen 3.228 N/A CYS 112.A N HIS 109.A ND1 no hydrogen 3.270 N/A GLU 116.A N LEU 107.A O no hydrogen 3.035 N/A LEU 118.A N CYS 105.A O no hydrogen 3.136 N/A VAL 120.A N TYR 103.A O no hydrogen 2.634 N/A ARG 121.A N GLU 140.A O no hydrogen 2.944 N/A ARG 121.A NH1 GLU 123.A OE1 no hydrogen 2.902 N/A ARG 121.A NH2 GLU 123.A OE1 no hydrogen 3.404 N/A LEU 122.A N GLY 101.A O no hydrogen 2.849 N/A GLU 123.A N LEU 142.A O no hydrogen 2.643 N/A VAL 124.A N GLU 100.A OE2 no hydrogen 2.729 N/A THR 125.A N VAL 144.A O no hydrogen 3.022 N/A ASP 127.A N THR 125.A OG1 no hydrogen 3.407 N/A LEU 130.A N ASP 127.A O no hydrogen 3.159 N/A SER 131.A N PRO 128.A O no hydrogen 3.197 N/A SER 131.A OG PRO 128.A O no hydrogen 3.264 N/A TYR 134.A N VAL 141.A O no hydrogen 3.119 N/A ASP 136.A N LYS 139.A O no hydrogen 3.057 N/A GLU 138.A N ASP 136.A OD1 no hydrogen 3.049 N/A LYS 139.A N ASP 136.A OD1 no hydrogen 2.786 N/A LYS 139.A NZ ASP 136.A OD2 no hydrogen 2.624 N/A VAL 141.A N TYR 134.A O no hydrogen 2.752 N/A LEU 142.A N ARG 121.A O no hydrogen 2.703 N/A VAL 143.A N ARG 132.A O no hydrogen 2.848 N/A VAL 144.A N GLU 123.A O no hydrogen 2.857 N/A GLY 147.A N VAL 95.A O no hydrogen 2.705 N/A ALA 148.A N ALA 145.A O no hydrogen 3.027 N/A ALA 150.A N ILE 92.A O no hydrogen 3.072 N/A MET 152.A N LEU 90.A O no hydrogen 2.922 N/A CYS 154.A N SER 89.A OG no hydrogen 3.054 N/A ASN 156.A N GLY 86.A O no hydrogen 2.892 N/A ASN 156.A ND2 GLU 116.A OE1 no hydrogen 2.906 N/A ALA 158.A N ASN 156.A OD1 no hydrogen 3.266 N/A TRP 161.A N ALA 158.A O no hydrogen 3.074 N/A TRP 161.A NE1 GLU 116.A OE1 no hydrogen 3.314 N/A THR 162.A N ALA 158.A O no hydrogen 3.204 N/A THR 162.A OG1 ALA 158.A O no hydrogen 3.216 N/A ASP 163.A N PHE 83.A O no hydrogen 2.880 N/A GLN 171.A N GLN 171.A OE1 no hydrogen 3.048 N/A GLN 171.A NE2 VAL 28.A O no hydrogen 3.533 N/A VAL 172.A N HIS 243.A O no hydrogen 2.976 N/A VAL 173.A N LEU 193.A O no hydrogen 2.750 N/A HIS 174.A N HIS 241.A O no hydrogen 2.867 N/A HIS 174.A ND1 ASP 192.A OD1 no hydrogen 2.770 N/A TRP 175.A N LEU 191.A O no hydrogen 2.999 N/A TRP 175.A NE1 PHE 223.A O no hydrogen 2.798 N/A ASP 176.A N SER 239.A O no hydrogen 2.802 N/A ARG 177.A N ASP 188.A O no hydrogen 2.686 N/A ARG 177.A NH1 ASP 234.A OD1 no hydrogen 3.558 N/A ARG 177.A NH1 TYR 238.A OH no hydrogen 3.320 N/A GLN 178.A N ILE 237.A O no hydrogen 2.801 N/A GLN 178.A NE2 VAL 182.A O no hydrogen 2.740 N/A VAL 182.A N LEU 179.A O no hydrogen 3.091 N/A ASP 188.A N ARG 177.A O no hydrogen 2.723 N/A ARG 189.A NE ASP 176.A OD1 no hydrogen 2.777 N/A ARG 189.A NH1 ASP 192.A OD1 no hydrogen 2.803 N/A LEU 190.A N TRP 175.A O no hydrogen 2.694 N/A LEU 191.A N TRP 175.A O no hydrogen 3.226 N/A ASP 192.A N ARG 200.A O no hydrogen 2.791 N/A LEU 193.A N VAL 173.A O no hydrogen 2.850 N/A TYR 194.A N GLU 198.A O no hydrogen 2.939 N/A ALA 195.A N GLN 171.A O no hydrogen 2.927 N/A SER 196.A N GLN 170.A OE1 no hydrogen 2.799 N/A GLY 197.A N TYR 194.A O no hydrogen 2.915 N/A ARG 199.A NH1 VAL 213.A O no hydrogen 2.625 N/A ARG 199.A NH2 ASN 214.A O no hydrogen 2.598 N/A ARG 200.A N ASP 192.A O no hydrogen 2.856 N/A ARG 200.A NE GLU 198.A OE2 no hydrogen 2.744 N/A ARG 200.A NH2 GLU 198.A OE2 no hydrogen 3.020 N/A TYR 202.A N LEU 190.A O no hydrogen 3.037 N/A TYR 202.A OH ASP 192.A OD2 no hydrogen 2.490 N/A LEU 207.A N PRO 204.A O no hydrogen 2.971 N/A ARG 208.A N PRO 204.A O no hydrogen 3.093 N/A ARG 208.A NE GLY 203.A O no hydrogen 2.854 N/A ASP 209.A N PRO 205.A O no hydrogen 3.130 N/A ARG 210.A N LEU 207.A O no hydrogen 3.091 N/A ARG 210.A NE PHE 206.A O no hydrogen 3.124 N/A ARG 210.A NH1 ASP 228.A O no hydrogen 3.102 N/A ARG 210.A NH1 ASP 234.A OD1 no hydrogen 3.525 N/A ARG 210.A NH1 ASP 234.A OD2 no hydrogen 2.791 N/A ARG 210.A NH2 ASP 234.A OD1 no hydrogen 2.866 N/A ARG 210.A NH2 ASP 234.A OD2 no hydrogen 3.567 N/A SER 212.A N ARG 226.A O no hydrogen 2.936 N/A ASN 214.A ND2 ASP 222.A O no hydrogen 2.862 N/A ARG 220.A N ASN 216.A O no hydrogen 3.123 N/A ASP 222.A N ALA 217.A O no hydrogen 2.930 N/A PHE 223.A N CYS 22.A O no hydrogen 2.660 N/A SER 224.A N ASP 222.A OD1 no hydrogen 3.103 N/A SER 224.A OG ASP 222.A OD1 no hydrogen 2.773 N/A LEU 225.A N LEU 20.A O no hydrogen 2.986 N/A ARG 226.A N SER 212.A O no hydrogen 2.846 N/A ARG 226.A NE SER 212.A O no hydrogen 3.325 N/A ARG 226.A NE SER 212.A OG no hydrogen 3.117 N/A ARG 226.A NH1 SER 212.A OG no hydrogen 3.210 N/A ILE 227.A N ALA 18.A O no hydrogen 2.912 N/A ASP 228.A N ARG 210.A O no hydrogen 2.595 N/A LEU 230.A N THR 16.A O no hydrogen 2.898 N/A GLU 231.A N ASP 234.A OD2 no hydrogen 2.801 N/A ARG 232.A NH1 GLU 261.A OE2 no hydrogen 3.037 N/A ASP 234.A N GLU 231.A O no hydrogen 2.974 N/A GLU 235.A N ARG 232.A O no hydrogen 3.265 N/A GLY 236.A N LEU 257.A O no hydrogen 3.111 N/A ILE 237.A N GLN 178.A O no hydrogen 2.823 N/A TYR 238.A N PHE 255.A O no hydrogen 2.724 N/A TYR 238.A OH ASP 234.A O no hydrogen 2.446 N/A SER 239.A N ASP 176.A O no hydrogen 3.061 N/A SER 239.A OG HIS 241.A NE2 no hydrogen 2.751 N/A CYS 240.A N ARG 253.A O no hydrogen 2.828 N/A HIS 241.A N HIS 174.A O no hydrogen 2.703 N/A HIS 241.A NE2 SER 239.A OG no hydrogen 2.751 N/A LEU 242.A N GLU 251.A O no hydrogen 2.707 N/A HIS 243.A N VAL 172.A O no hydrogen 2.993 N/A HIS 243.A ND1 HIS 250.A ND1 no hydrogen 2.982 N/A HIS 244.A N LEU 249.A O no hydrogen 2.804 N/A TYR 246.A OH HIS 109.A NE2 no hydrogen 2.721 N/A GLY 248.A N HIS 245.A O no hydrogen 3.390 N/A LEU 249.A N HIS 244.A O no hydrogen 2.986 N/A HIS 250.A ND1 HIS 243.A ND1 no hydrogen 2.982 N/A GLU 251.A N LEU 242.A O no hydrogen 3.014 N/A ARG 252.A N SER 3.A O no hydrogen 2.969 N/A ARG 252.A NH1 SER 2.A O no hydrogen 2.966 N/A ARG 252.A NH1 SER 2.A OG no hydrogen 3.163 N/A ARG 253.A N CYS 240.A O no hydrogen 2.855 N/A VAL 254.A N SER 6.A O no hydrogen 2.956 N/A PHE 255.A N TYR 238.A O no hydrogen 2.649 N/A HIS 256.A N SER 8.A O no hydrogen 2.817 N/A HIS 256.A NE2 GLU 7.A OE2 no hydrogen 2.762 N/A LEU 257.A N GLY 236.A O no hydrogen 2.814 N/A GLN 258.A N VAL 10.A O no hydrogen 2.611 N/A THR 260.A N LEU 12.A O no hydrogen 2.795 N/A THR 260.A OG1 LEU 12.A O no hydrogen 3.307 N/A